USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 LYS NZ :NH3+ 143:sc= -0.448 (180deg=-1.7) USER MOD Set 1.2: A 79 SER OG : rot -170:sc= -0.0754 USER MOD Set 2.1: A 15 HIS : no HE2:sc= -5.53 K(o=-6.5,f=-8.5!) USER MOD Set 2.2: A 45 MET CE :methyl 138:sc= -0.988 (180deg=-2.85!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc=-0.00237 F(o=-1.1,f=-0.0024) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0812 USER MOD Single : A 48 HIS : no HD1:sc= -3.15! C(o=-3.1!,f=-5!) USER MOD Single : A 49 TYR OH : rot 180:sc=-0.00196 USER MOD Single : A 50 THR OG1 : rot 30:sc= 0.769! USER MOD Single : A 51 ASN : amide:sc= -0.976! C(o=-0.98!,f=-3.5!) USER MOD Single : A 52 ASN : amide:sc= -0.068 K(o=-0.068,f=-1.8) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -50:sc= 0.68 USER MOD Single : A 61 GLN : amide:sc=-0.00986 K(o=-0.0099,f=-5!) USER MOD Single : A 66 LYS NZ :NH3+ -123:sc= 1.28 (180deg=-0.257) USER MOD Single : A 74 SER OG : rot 140:sc= -0.732 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.175 F(o=-1.7!,f=-0.17) USER MOD Single : A 77 MET CE :methyl -139:sc= 0 (180deg=-0.0672) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.488 12.428 -10.128 1.00 0.00 N ATOM 67 CA ASP A 8 -0.812 11.435 -9.301 1.00 0.00 C ATOM 68 C ASP A 8 -1.744 10.907 -8.214 1.00 0.00 C ATOM 69 O ASP A 8 -2.721 11.561 -7.849 1.00 0.00 O ATOM 70 CB ASP A 8 0.443 12.036 -8.667 1.00 0.00 C ATOM 71 CG ASP A 8 1.188 12.954 -9.617 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.065 12.763 -10.845 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.895 13.862 -9.132 1.00 0.00 O ATOM 0 HA ASP A 8 -0.522 10.602 -9.942 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.164 12.593 -7.772 1.00 0.00 H new ATOM 0 HB3 ASP A 8 1.106 11.232 -8.348 1.00 0.00 H new ATOM 78 N VAL A 9 -1.434 9.721 -7.701 1.00 0.00 N ATOM 79 CA VAL A 9 -2.243 9.105 -6.656 1.00 0.00 C ATOM 80 C VAL A 9 -1.560 9.213 -5.297 1.00 0.00 C ATOM 81 O VAL A 9 -0.647 8.446 -4.988 1.00 0.00 O ATOM 82 CB VAL A 9 -2.522 7.622 -6.962 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.267 6.969 -5.808 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.306 7.485 -8.259 1.00 0.00 C ATOM 0 H VAL A 9 -0.628 9.167 -7.992 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.189 9.646 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.568 7.108 -7.084 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.455 5.921 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.665 7.035 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.216 7.482 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.495 6.431 -8.460 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.255 8.013 -8.168 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.730 7.914 -9.079 1.00 0.00 H new ATOM 94 N ARG A 10 -2.007 10.168 -4.489 1.00 0.00 N ATOM 95 CA ARG A 10 -1.438 10.376 -3.163 1.00 0.00 C ATOM 96 C ARG A 10 -1.621 9.137 -2.292 1.00 0.00 C ATOM 97 O ARG A 10 -2.732 8.828 -1.859 1.00 0.00 O ATOM 98 CB ARG A 10 -2.089 11.586 -2.490 1.00 0.00 C ATOM 99 CG ARG A 10 -1.251 12.184 -1.371 1.00 0.00 C ATOM 100 CD ARG A 10 -2.105 12.991 -0.407 1.00 0.00 C ATOM 101 NE ARG A 10 -2.208 14.392 -0.807 1.00 0.00 N ATOM 102 CZ ARG A 10 -3.198 15.193 -0.431 1.00 0.00 C ATOM 103 NH1 ARG A 10 -4.166 14.735 0.351 1.00 0.00 N ATOM 104 NH2 ARG A 10 -3.222 16.456 -0.838 1.00 0.00 N ATOM 0 H ARG A 10 -2.762 10.810 -4.729 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.370 10.563 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.276 12.353 -3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.058 11.290 -2.089 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.743 11.386 -0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.477 12.823 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.103 12.555 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.677 12.930 0.594 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.479 14.776 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.152 13.765 0.665 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.925 15.353 0.638 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.480 16.812 -1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.983 17.071 -0.549 1.00 0.00 H new ATOM 118 N VAL A 11 -0.524 8.430 -2.040 1.00 0.00 N ATOM 119 CA VAL A 11 -0.563 7.224 -1.221 1.00 0.00 C ATOM 120 C VAL A 11 0.185 7.427 0.091 1.00 0.00 C ATOM 121 O VAL A 11 1.388 7.690 0.099 1.00 0.00 O ATOM 122 CB VAL A 11 0.044 6.020 -1.965 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.091 4.800 -1.057 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.746 5.723 -3.231 1.00 0.00 C ATOM 0 H VAL A 11 0.403 8.671 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.612 7.019 -1.010 1.00 0.00 H new ATOM 0 HB VAL A 11 1.066 6.269 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.523 3.959 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.703 5.021 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.919 4.545 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.303 4.869 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.779 5.494 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.722 6.593 -3.887 1.00 0.00 H new ATOM 134 N LYS A 12 -0.534 7.303 1.202 1.00 0.00 N ATOM 135 CA LYS A 12 0.062 7.471 2.522 1.00 0.00 C ATOM 136 C LYS A 12 0.363 6.118 3.159 1.00 0.00 C ATOM 137 O LYS A 12 -0.488 5.228 3.180 1.00 0.00 O ATOM 138 CB LYS A 12 -0.874 8.276 3.427 1.00 0.00 C ATOM 139 CG LYS A 12 -0.222 8.736 4.720 1.00 0.00 C ATOM 140 CD LYS A 12 -1.240 8.873 5.840 1.00 0.00 C ATOM 141 CE LYS A 12 -2.154 10.068 5.619 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.247 9.760 4.655 1.00 0.00 N ATOM 0 H LYS A 12 -1.531 7.087 1.214 1.00 0.00 H new ATOM 0 HA LYS A 12 1.000 8.014 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.233 9.148 2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.747 7.668 3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.549 8.024 5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.273 9.693 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.837 7.963 5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.722 8.981 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.586 10.376 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.569 10.909 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.121 10.237 4.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.979 10.095 3.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.405 8.733 4.627 1.00 0.00 H new ATOM 156 N PHE A 13 1.577 5.971 3.679 1.00 0.00 N ATOM 157 CA PHE A 13 1.989 4.726 4.317 1.00 0.00 C ATOM 158 C PHE A 13 1.967 4.861 5.837 1.00 0.00 C ATOM 159 O PHE A 13 1.953 5.969 6.371 1.00 0.00 O ATOM 160 CB PHE A 13 3.391 4.329 3.850 1.00 0.00 C ATOM 161 CG PHE A 13 3.429 3.810 2.441 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.698 2.689 2.082 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.194 4.444 1.475 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.732 2.209 0.786 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.231 3.969 0.178 1.00 0.00 C ATOM 166 CZ PHE A 13 3.498 2.850 -0.167 1.00 0.00 C ATOM 0 H PHE A 13 2.292 6.698 3.671 1.00 0.00 H new ATOM 0 HA PHE A 13 1.283 3.948 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.050 5.194 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.786 3.566 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.095 2.185 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.768 5.320 1.739 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.160 1.333 0.519 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.832 4.472 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.524 2.477 -1.180 1.00 0.00 H new ATOM 176 N GLU A 14 1.963 3.724 6.526 1.00 0.00 N ATOM 177 CA GLU A 14 1.941 3.716 7.984 1.00 0.00 C ATOM 178 C GLU A 14 2.637 2.473 8.531 1.00 0.00 C ATOM 179 O GLU A 14 2.165 1.351 8.347 1.00 0.00 O ATOM 180 CB GLU A 14 0.499 3.772 8.495 1.00 0.00 C ATOM 181 CG GLU A 14 -0.014 5.185 8.714 1.00 0.00 C ATOM 182 CD GLU A 14 -1.526 5.250 8.802 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.093 4.643 9.734 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.142 5.908 7.938 1.00 0.00 O ATOM 0 H GLU A 14 1.975 2.798 6.099 1.00 0.00 H new ATOM 0 HA GLU A 14 2.478 4.597 8.335 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.150 3.265 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.433 3.221 9.433 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.417 5.586 9.631 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.326 5.822 7.897 1.00 0.00 H new ATOM 191 N HIS A 15 3.764 2.682 9.205 1.00 0.00 N ATOM 192 CA HIS A 15 4.527 1.580 9.780 1.00 0.00 C ATOM 193 C HIS A 15 4.975 1.911 11.200 1.00 0.00 C ATOM 194 O HIS A 15 5.716 2.870 11.419 1.00 0.00 O ATOM 195 CB HIS A 15 5.744 1.265 8.909 1.00 0.00 C ATOM 196 CG HIS A 15 6.277 -0.121 9.103 1.00 0.00 C ATOM 197 ND1 HIS A 15 6.618 -0.630 10.339 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.526 -1.107 8.210 1.00 0.00 C ATOM 199 CE1 HIS A 15 7.055 -1.868 10.197 1.00 0.00 C ATOM 200 NE2 HIS A 15 7.009 -2.182 8.915 1.00 0.00 N ATOM 0 H HIS A 15 4.169 3.604 9.366 1.00 0.00 H new ATOM 0 HA HIS A 15 3.880 0.704 9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.475 1.398 7.861 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.534 1.983 9.129 1.00 0.00 H new ATOM 0 HD1 HIS A 15 6.544 -0.129 11.224 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.373 -1.058 7.142 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.393 -2.514 10.994 1.00 0.00 H new ATOM 209 N ARG A 16 4.520 1.113 12.160 1.00 0.00 N ATOM 210 CA ARG A 16 4.873 1.323 13.559 1.00 0.00 C ATOM 211 C ARG A 16 4.709 2.790 13.947 1.00 0.00 C ATOM 212 O ARG A 16 5.610 3.395 14.526 1.00 0.00 O ATOM 213 CB ARG A 16 6.313 0.875 13.817 1.00 0.00 C ATOM 214 CG ARG A 16 6.509 -0.629 13.718 1.00 0.00 C ATOM 215 CD ARG A 16 7.959 -0.983 13.424 1.00 0.00 C ATOM 216 NE ARG A 16 8.212 -2.414 13.567 1.00 0.00 N ATOM 217 CZ ARG A 16 9.416 -2.963 13.448 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.471 -2.203 13.187 1.00 0.00 N ATOM 219 NH2 ARG A 16 9.567 -4.273 13.592 1.00 0.00 N ATOM 0 H ARG A 16 3.906 0.315 11.995 1.00 0.00 H new ATOM 0 HA ARG A 16 4.198 0.725 14.171 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.972 1.367 13.101 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.616 1.208 14.810 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.200 -1.100 14.651 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.869 -1.030 12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.210 -0.670 12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.611 -0.430 14.100 1.00 0.00 H new ATOM 0 HE ARG A 16 7.421 -3.026 13.769 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.359 -1.195 13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.395 -2.626 13.096 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.758 -4.860 13.794 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.492 -4.693 13.500 1.00 0.00 H new ATOM 233 N GLY A 17 3.550 3.356 13.622 1.00 0.00 N ATOM 234 CA GLY A 17 3.289 4.747 13.943 1.00 0.00 C ATOM 235 C GLY A 17 3.785 5.694 12.868 1.00 0.00 C ATOM 236 O GLY A 17 3.113 6.669 12.534 1.00 0.00 O ATOM 0 H GLY A 17 2.788 2.876 13.143 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.217 4.890 14.082 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.769 4.994 14.890 1.00 0.00 H new ATOM 240 N GLU A 18 4.964 5.406 12.327 1.00 0.00 N ATOM 241 CA GLU A 18 5.550 6.241 11.285 1.00 0.00 C ATOM 242 C GLU A 18 4.679 6.238 10.032 1.00 0.00 C ATOM 243 O GLU A 18 3.897 5.315 9.807 1.00 0.00 O ATOM 244 CB GLU A 18 6.959 5.754 10.942 1.00 0.00 C ATOM 245 CG GLU A 18 7.884 5.670 12.144 1.00 0.00 C ATOM 246 CD GLU A 18 7.736 6.855 13.078 1.00 0.00 C ATOM 247 OE1 GLU A 18 8.323 7.918 12.784 1.00 0.00 O ATOM 248 OE2 GLU A 18 7.035 6.721 14.102 1.00 0.00 O ATOM 0 H GLU A 18 5.532 4.601 12.593 1.00 0.00 H new ATOM 0 HA GLU A 18 5.609 7.262 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.891 4.770 10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.397 6.426 10.204 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.677 4.751 12.693 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.916 5.610 11.800 1.00 0.00 H new ATOM 255 N LYS A 19 4.821 7.279 9.217 1.00 0.00 N ATOM 256 CA LYS A 19 4.050 7.398 7.986 1.00 0.00 C ATOM 257 C LYS A 19 4.851 8.124 6.910 1.00 0.00 C ATOM 258 O LYS A 19 5.732 8.928 7.215 1.00 0.00 O ATOM 259 CB LYS A 19 2.740 8.143 8.251 1.00 0.00 C ATOM 260 CG LYS A 19 2.930 9.479 8.948 1.00 0.00 C ATOM 261 CD LYS A 19 3.187 10.596 7.951 1.00 0.00 C ATOM 262 CE LYS A 19 2.958 11.964 8.575 1.00 0.00 C ATOM 263 NZ LYS A 19 3.588 13.051 7.776 1.00 0.00 N ATOM 0 H LYS A 19 5.464 8.052 9.388 1.00 0.00 H new ATOM 0 HA LYS A 19 3.824 6.393 7.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.227 8.307 7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.091 7.514 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.043 9.713 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.766 9.412 9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.211 10.529 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.531 10.474 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.887 12.150 8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.365 11.974 9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.409 13.967 8.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.613 12.888 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.182 13.058 6.819 1.00 0.00 H new ATOM 277 N ARG A 20 4.539 7.836 5.651 1.00 0.00 N ATOM 278 CA ARG A 20 5.230 8.463 4.530 1.00 0.00 C ATOM 279 C ARG A 20 4.343 8.486 3.289 1.00 0.00 C ATOM 280 O ARG A 20 3.945 7.438 2.779 1.00 0.00 O ATOM 281 CB ARG A 20 6.531 7.718 4.226 1.00 0.00 C ATOM 282 CG ARG A 20 7.735 8.264 4.977 1.00 0.00 C ATOM 283 CD ARG A 20 8.121 9.648 4.480 1.00 0.00 C ATOM 284 NE ARG A 20 8.754 10.448 5.526 1.00 0.00 N ATOM 285 CZ ARG A 20 10.042 10.362 5.839 1.00 0.00 C ATOM 286 NH1 ARG A 20 10.830 9.515 5.190 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.544 11.123 6.803 1.00 0.00 N ATOM 0 H ARG A 20 3.813 7.173 5.381 1.00 0.00 H new ATOM 0 HA ARG A 20 5.463 9.491 4.808 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.404 6.665 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.727 7.769 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.511 8.308 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.579 7.585 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.802 9.553 3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.232 10.164 4.117 1.00 0.00 H new ATOM 0 HE ARG A 20 8.175 11.109 6.044 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.447 8.928 4.449 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.819 9.451 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.941 11.775 7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.533 11.056 7.043 1.00 0.00 H new ATOM 301 N ILE A 21 4.037 9.687 2.809 1.00 0.00 N ATOM 302 CA ILE A 21 3.198 9.846 1.628 1.00 0.00 C ATOM 303 C ILE A 21 4.041 9.905 0.358 1.00 0.00 C ATOM 304 O ILE A 21 5.162 10.416 0.367 1.00 0.00 O ATOM 305 CB ILE A 21 2.335 11.118 1.717 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.361 11.019 2.893 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.581 11.340 0.415 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.847 12.360 3.367 1.00 0.00 C ATOM 0 H ILE A 21 4.358 10.564 3.220 1.00 0.00 H new ATOM 0 HA ILE A 21 2.544 8.975 1.587 1.00 0.00 H new ATOM 0 HB ILE A 21 2.991 11.972 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.515 10.397 2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.856 10.515 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.976 12.243 0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.293 11.451 -0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.933 10.485 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.162 12.213 4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.685 12.978 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.323 12.858 2.551 1.00 0.00 H new ATOM 320 N LEU A 22 3.494 9.381 -0.733 1.00 0.00 N ATOM 321 CA LEU A 22 4.195 9.375 -2.013 1.00 0.00 C ATOM 322 C LEU A 22 3.287 9.872 -3.133 1.00 0.00 C ATOM 323 O LEU A 22 2.130 10.219 -2.898 1.00 0.00 O ATOM 324 CB LEU A 22 4.698 7.967 -2.335 1.00 0.00 C ATOM 325 CG LEU A 22 5.864 7.460 -1.486 1.00 0.00 C ATOM 326 CD1 LEU A 22 7.077 8.363 -1.651 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.459 7.372 -0.022 1.00 0.00 C ATOM 0 H LEU A 22 2.568 8.955 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 22 5.048 10.049 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.866 7.272 -2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.999 7.941 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 22 6.131 6.461 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.897 7.986 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.381 8.376 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.823 9.375 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.301 7.009 0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.165 8.359 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.620 6.684 0.083 1.00 0.00 H new ATOM 339 N GLN A 23 3.819 9.901 -4.350 1.00 0.00 N ATOM 340 CA GLN A 23 3.055 10.353 -5.507 1.00 0.00 C ATOM 341 C GLN A 23 3.322 9.465 -6.717 1.00 0.00 C ATOM 342 O GLN A 23 4.414 9.484 -7.286 1.00 0.00 O ATOM 343 CB GLN A 23 3.404 11.805 -5.839 1.00 0.00 C ATOM 344 CG GLN A 23 2.705 12.818 -4.947 1.00 0.00 C ATOM 345 CD GLN A 23 2.713 14.216 -5.533 1.00 0.00 C ATOM 346 OE1 GLN A 23 1.771 14.487 -6.429 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 3.556 15.043 -5.185 1.00 0.00 N flip ATOM 0 H GLN A 23 4.776 9.617 -4.561 1.00 0.00 H new ATOM 0 HA GLN A 23 1.996 10.288 -5.259 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.482 11.940 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.140 12.005 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.674 12.503 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.192 12.834 -3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.262 14.791 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.549 15.980 -5.589 1.00 0.00 H new ATOM 356 N PHE A 24 2.318 8.685 -7.106 1.00 0.00 N ATOM 357 CA PHE A 24 2.445 7.788 -8.248 1.00 0.00 C ATOM 358 C PHE A 24 1.532 8.227 -9.389 1.00 0.00 C ATOM 359 O PHE A 24 0.306 8.157 -9.298 1.00 0.00 O ATOM 360 CB PHE A 24 2.110 6.353 -7.836 1.00 0.00 C ATOM 361 CG PHE A 24 2.950 5.845 -6.699 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.587 6.096 -5.385 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.103 5.115 -6.943 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.358 5.630 -4.337 1.00 0.00 C ATOM 365 CE2 PHE A 24 4.878 4.646 -5.899 1.00 0.00 C ATOM 366 CZ PHE A 24 4.504 4.903 -4.594 1.00 0.00 C ATOM 0 H PHE A 24 1.408 8.657 -6.647 1.00 0.00 H new ATOM 0 HA PHE A 24 3.477 7.828 -8.596 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.059 6.301 -7.552 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.241 5.696 -8.696 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.691 6.662 -5.178 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.399 4.910 -7.961 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.065 5.834 -3.318 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.775 4.079 -6.103 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.107 4.536 -3.776 1.00 0.00 H new ATOM 376 N PRO A 25 2.142 8.691 -10.489 1.00 0.00 N ATOM 377 CA PRO A 25 1.404 9.151 -11.669 1.00 0.00 C ATOM 378 C PRO A 25 0.724 8.005 -12.411 1.00 0.00 C ATOM 379 O PRO A 25 1.389 7.118 -12.944 1.00 0.00 O ATOM 380 CB PRO A 25 2.490 9.784 -12.543 1.00 0.00 C ATOM 381 CG PRO A 25 3.750 9.103 -12.132 1.00 0.00 C ATOM 382 CD PRO A 25 3.600 8.802 -10.666 1.00 0.00 C ATOM 0 HA PRO A 25 0.598 9.836 -11.404 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.285 9.631 -13.603 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.551 10.860 -12.382 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.904 8.188 -12.704 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.615 9.741 -12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.110 7.879 -10.391 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.021 9.595 -10.048 1.00 0.00 H new ATOM 390 N ARG A 26 -0.604 8.032 -12.441 1.00 0.00 N ATOM 391 CA ARG A 26 -1.374 6.994 -13.117 1.00 0.00 C ATOM 392 C ARG A 26 -0.922 6.839 -14.566 1.00 0.00 C ATOM 393 O ARG A 26 -0.520 7.800 -15.223 1.00 0.00 O ATOM 394 CB ARG A 26 -2.867 7.324 -13.069 1.00 0.00 C ATOM 395 CG ARG A 26 -3.523 6.989 -11.739 1.00 0.00 C ATOM 396 CD ARG A 26 -4.992 7.380 -11.729 1.00 0.00 C ATOM 397 NE ARG A 26 -5.176 8.822 -11.863 1.00 0.00 N ATOM 398 CZ ARG A 26 -5.213 9.454 -13.031 1.00 0.00 C ATOM 399 NH1 ARG A 26 -5.079 8.773 -14.160 1.00 0.00 N ATOM 400 NH2 ARG A 26 -5.384 10.769 -13.070 1.00 0.00 N ATOM 0 H ARG A 26 -1.169 8.761 -12.005 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.201 6.051 -12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.002 8.386 -13.274 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.377 6.779 -13.863 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.428 5.921 -11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.002 7.507 -10.934 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.508 6.872 -12.544 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.451 7.041 -10.800 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.282 9.375 -11.013 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.947 7.762 -14.133 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.108 9.260 -15.056 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.487 11.296 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.412 11.253 -13.967 1.00 0.00 H new ATOM 414 N PRO A 27 -0.989 5.601 -15.078 1.00 0.00 N ATOM 415 CA PRO A 27 -1.465 4.450 -14.305 1.00 0.00 C ATOM 416 C PRO A 27 -0.490 4.048 -13.204 1.00 0.00 C ATOM 417 O PRO A 27 0.721 4.000 -13.419 1.00 0.00 O ATOM 418 CB PRO A 27 -1.574 3.340 -15.354 1.00 0.00 C ATOM 419 CG PRO A 27 -0.604 3.727 -16.417 1.00 0.00 C ATOM 420 CD PRO A 27 -0.603 5.230 -16.450 1.00 0.00 C ATOM 0 HA PRO A 27 -2.402 4.663 -13.791 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.328 2.367 -14.928 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.587 3.267 -15.750 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.391 3.341 -16.196 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.899 3.316 -17.382 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.378 5.626 -16.712 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.309 5.616 -17.185 1.00 0.00 H new ATOM 428 N VAL A 28 -1.027 3.760 -12.022 1.00 0.00 N ATOM 429 CA VAL A 28 -0.204 3.360 -10.886 1.00 0.00 C ATOM 430 C VAL A 28 0.119 1.871 -10.939 1.00 0.00 C ATOM 431 O VAL A 28 -0.746 1.047 -11.235 1.00 0.00 O ATOM 432 CB VAL A 28 -0.901 3.676 -9.550 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.036 3.236 -8.379 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.225 5.160 -9.456 1.00 0.00 C ATOM 0 H VAL A 28 -2.027 3.796 -11.826 1.00 0.00 H new ATOM 0 HA VAL A 28 0.722 3.932 -10.948 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.837 3.119 -9.508 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.545 3.468 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.140 2.162 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.918 3.763 -8.413 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.717 5.365 -8.505 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.303 5.738 -9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.887 5.441 -10.275 1.00 0.00 H new ATOM 444 N LYS A 29 1.370 1.532 -10.648 1.00 0.00 N ATOM 445 CA LYS A 29 1.809 0.142 -10.660 1.00 0.00 C ATOM 446 C LYS A 29 2.029 -0.371 -9.240 1.00 0.00 C ATOM 447 O LYS A 29 2.758 0.237 -8.455 1.00 0.00 O ATOM 448 CB LYS A 29 3.100 0.000 -11.470 1.00 0.00 C ATOM 449 CG LYS A 29 2.964 0.450 -12.914 1.00 0.00 C ATOM 450 CD LYS A 29 2.351 -0.637 -13.781 1.00 0.00 C ATOM 451 CE LYS A 29 1.625 -0.049 -14.982 1.00 0.00 C ATOM 452 NZ LYS A 29 1.489 -1.038 -16.087 1.00 0.00 N ATOM 0 H LYS A 29 2.099 2.202 -10.401 1.00 0.00 H new ATOM 0 HA LYS A 29 1.026 -0.456 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.887 0.582 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.418 -1.042 -11.451 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.345 1.346 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.945 0.720 -13.306 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.133 -1.315 -14.123 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.654 -1.228 -13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.636 0.293 -14.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.167 0.825 -15.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.989 -0.599 -16.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.433 -1.345 -16.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.949 -1.861 -15.752 1.00 0.00 H new ATOM 466 N LEU A 30 1.396 -1.493 -8.917 1.00 0.00 N ATOM 467 CA LEU A 30 1.524 -2.090 -7.592 1.00 0.00 C ATOM 468 C LEU A 30 2.990 -2.203 -7.184 1.00 0.00 C ATOM 469 O LEU A 30 3.343 -1.960 -6.031 1.00 0.00 O ATOM 470 CB LEU A 30 0.868 -3.471 -7.567 1.00 0.00 C ATOM 471 CG LEU A 30 1.107 -4.306 -6.308 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.333 -3.731 -5.132 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.717 -5.757 -6.548 1.00 0.00 C ATOM 0 H LEU A 30 0.789 -2.008 -9.554 1.00 0.00 H new ATOM 0 HA LEU A 30 1.017 -1.441 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.207 -3.343 -7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.226 -4.037 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 30 2.170 -4.272 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.515 -4.338 -4.245 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.661 -2.708 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.733 -3.734 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.894 -6.336 -5.642 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.339 -5.811 -6.813 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.316 -6.165 -7.362 1.00 0.00 H new ATOM 485 N GLU A 31 3.837 -2.571 -8.140 1.00 0.00 N ATOM 486 CA GLU A 31 5.265 -2.715 -7.880 1.00 0.00 C ATOM 487 C GLU A 31 5.871 -1.390 -7.427 1.00 0.00 C ATOM 488 O GLU A 31 6.665 -1.347 -6.486 1.00 0.00 O ATOM 489 CB GLU A 31 5.986 -3.217 -9.132 1.00 0.00 C ATOM 490 CG GLU A 31 6.314 -2.117 -10.128 1.00 0.00 C ATOM 491 CD GLU A 31 7.185 -2.604 -11.270 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.886 -3.681 -11.827 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.165 -1.907 -11.606 1.00 0.00 O ATOM 0 H GLU A 31 3.560 -2.775 -9.100 1.00 0.00 H new ATOM 0 HA GLU A 31 5.391 -3.445 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.910 -3.713 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.365 -3.966 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.387 -1.709 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.822 -1.303 -9.610 1.00 0.00 H new ATOM 500 N ASP A 32 5.493 -0.311 -8.103 1.00 0.00 N ATOM 501 CA ASP A 32 5.998 1.016 -7.771 1.00 0.00 C ATOM 502 C ASP A 32 5.722 1.353 -6.309 1.00 0.00 C ATOM 503 O ASP A 32 6.626 1.743 -5.569 1.00 0.00 O ATOM 504 CB ASP A 32 5.361 2.070 -8.679 1.00 0.00 C ATOM 505 CG ASP A 32 6.103 2.227 -9.992 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.328 1.983 -10.015 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.459 2.593 -10.997 1.00 0.00 O ATOM 0 H ASP A 32 4.838 -0.329 -8.885 1.00 0.00 H new ATOM 0 HA ASP A 32 7.077 1.016 -7.928 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.326 1.794 -8.881 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.340 3.028 -8.160 1.00 0.00 H new ATOM 512 N LEU A 33 4.467 1.200 -5.900 1.00 0.00 N ATOM 513 CA LEU A 33 4.071 1.489 -4.526 1.00 0.00 C ATOM 514 C LEU A 33 5.018 0.822 -3.534 1.00 0.00 C ATOM 515 O LEU A 33 5.430 1.432 -2.547 1.00 0.00 O ATOM 516 CB LEU A 33 2.638 1.015 -4.277 1.00 0.00 C ATOM 517 CG LEU A 33 1.528 1.937 -4.785 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.276 1.137 -5.109 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.222 3.018 -3.759 1.00 0.00 C ATOM 0 H LEU A 33 3.707 0.878 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 33 4.122 2.568 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.513 0.038 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.504 0.875 -3.204 1.00 0.00 H new ATOM 0 HG LEU A 33 1.873 2.419 -5.700 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.503 1.810 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.504 0.401 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.072 0.626 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.430 3.665 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.898 2.554 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.118 3.611 -3.577 1.00 0.00 H new ATOM 531 N ARG A 34 5.361 -0.433 -3.804 1.00 0.00 N ATOM 532 CA ARG A 34 6.261 -1.183 -2.936 1.00 0.00 C ATOM 533 C ARG A 34 7.676 -0.614 -2.998 1.00 0.00 C ATOM 534 O ARG A 34 8.268 -0.282 -1.972 1.00 0.00 O ATOM 535 CB ARG A 34 6.276 -2.660 -3.334 1.00 0.00 C ATOM 536 CG ARG A 34 4.897 -3.300 -3.348 1.00 0.00 C ATOM 537 CD ARG A 34 4.964 -4.756 -3.782 1.00 0.00 C ATOM 538 NE ARG A 34 5.464 -5.622 -2.717 1.00 0.00 N ATOM 539 CZ ARG A 34 4.701 -6.103 -1.743 1.00 0.00 C ATOM 540 NH1 ARG A 34 3.409 -5.806 -1.698 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.229 -6.885 -0.810 1.00 0.00 N ATOM 0 H ARG A 34 5.029 -0.952 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 34 5.896 -1.094 -1.913 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.722 -2.757 -4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.915 -3.208 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.454 -3.235 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.245 -2.747 -4.024 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.972 -5.090 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.611 -4.845 -4.655 1.00 0.00 H new ATOM 0 HE ARG A 34 6.453 -5.871 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.998 -5.206 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.826 -6.178 -0.948 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.222 -7.117 -0.841 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.642 -7.254 -0.062 1.00 0.00 H new ATOM 555 N SER A 35 8.212 -0.507 -4.210 1.00 0.00 N ATOM 556 CA SER A 35 9.558 0.017 -4.406 1.00 0.00 C ATOM 557 C SER A 35 9.790 1.256 -3.546 1.00 0.00 C ATOM 558 O SER A 35 10.720 1.301 -2.740 1.00 0.00 O ATOM 559 CB SER A 35 9.786 0.357 -5.881 1.00 0.00 C ATOM 560 OG SER A 35 11.152 0.215 -6.232 1.00 0.00 O ATOM 0 H SER A 35 7.735 -0.776 -5.070 1.00 0.00 H new ATOM 0 HA SER A 35 10.268 -0.753 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.177 -0.296 -6.506 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.461 1.379 -6.076 1.00 0.00 H new ATOM 0 HG SER A 35 11.271 0.436 -7.179 1.00 0.00 H new ATOM 566 N LYS A 36 8.938 2.259 -3.722 1.00 0.00 N ATOM 567 CA LYS A 36 9.047 3.499 -2.963 1.00 0.00 C ATOM 568 C LYS A 36 9.100 3.216 -1.465 1.00 0.00 C ATOM 569 O LYS A 36 10.102 3.495 -0.807 1.00 0.00 O ATOM 570 CB LYS A 36 7.865 4.419 -3.277 1.00 0.00 C ATOM 571 CG LYS A 36 7.777 4.819 -4.740 1.00 0.00 C ATOM 572 CD LYS A 36 8.974 5.655 -5.162 1.00 0.00 C ATOM 573 CE LYS A 36 8.972 7.015 -4.480 1.00 0.00 C ATOM 574 NZ LYS A 36 9.862 7.985 -5.176 1.00 0.00 N ATOM 0 H LYS A 36 8.163 2.238 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 36 9.973 3.995 -3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.940 3.919 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.944 5.319 -2.667 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.720 3.924 -5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.860 5.383 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.894 5.125 -4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.962 5.789 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.955 7.408 -4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.296 6.903 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.833 8.899 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.837 7.623 -5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.538 8.112 -6.156 1.00 0.00 H new ATOM 588 N ALA A 37 8.017 2.660 -0.933 1.00 0.00 N ATOM 589 CA ALA A 37 7.942 2.336 0.486 1.00 0.00 C ATOM 590 C ALA A 37 9.211 1.634 0.956 1.00 0.00 C ATOM 591 O ALA A 37 9.664 1.835 2.083 1.00 0.00 O ATOM 592 CB ALA A 37 6.723 1.471 0.767 1.00 0.00 C ATOM 0 H ALA A 37 7.179 2.424 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 37 7.847 3.269 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.680 1.237 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.820 2.009 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.793 0.546 0.195 1.00 0.00 H new ATOM 598 N LYS A 38 9.782 0.807 0.086 1.00 0.00 N ATOM 599 CA LYS A 38 10.999 0.074 0.411 1.00 0.00 C ATOM 600 C LYS A 38 12.209 1.003 0.414 1.00 0.00 C ATOM 601 O LYS A 38 13.147 0.813 1.189 1.00 0.00 O ATOM 602 CB LYS A 38 11.218 -1.062 -0.591 1.00 0.00 C ATOM 603 CG LYS A 38 12.292 -2.048 -0.167 1.00 0.00 C ATOM 604 CD LYS A 38 12.439 -3.178 -1.172 1.00 0.00 C ATOM 605 CE LYS A 38 13.462 -2.840 -2.246 1.00 0.00 C ATOM 606 NZ LYS A 38 13.217 -3.598 -3.504 1.00 0.00 N ATOM 0 H LYS A 38 9.420 0.628 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 38 10.884 -0.348 1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.279 -1.598 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.489 -0.636 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.244 -1.528 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.044 -2.460 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.740 -4.089 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.474 -3.380 -1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.430 -1.771 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.463 -3.063 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.935 -3.340 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.273 -4.618 -3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.272 -3.366 -3.870 1.00 0.00 H new ATOM 620 N ILE A 39 12.180 2.008 -0.454 1.00 0.00 N ATOM 621 CA ILE A 39 13.273 2.968 -0.548 1.00 0.00 C ATOM 622 C ILE A 39 13.218 3.978 0.593 1.00 0.00 C ATOM 623 O ILE A 39 14.250 4.378 1.132 1.00 0.00 O ATOM 624 CB ILE A 39 13.244 3.724 -1.890 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.372 2.742 -3.056 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.357 4.760 -1.938 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.687 3.213 -4.320 1.00 0.00 C ATOM 0 H ILE A 39 11.411 2.179 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 39 14.200 2.398 -0.481 1.00 0.00 H new ATOM 0 HB ILE A 39 12.289 4.241 -1.979 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.429 2.575 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.950 1.782 -2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.324 5.286 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.225 5.474 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.321 4.263 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.819 2.468 -5.104 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.623 3.353 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.125 4.158 -4.641 1.00 0.00 H new ATOM 639 N ALA A 40 12.007 4.385 0.957 1.00 0.00 N ATOM 640 CA ALA A 40 11.817 5.345 2.038 1.00 0.00 C ATOM 641 C ALA A 40 12.288 4.773 3.370 1.00 0.00 C ATOM 642 O ALA A 40 12.976 5.446 4.138 1.00 0.00 O ATOM 643 CB ALA A 40 10.355 5.758 2.126 1.00 0.00 C ATOM 0 H ALA A 40 11.143 4.065 0.520 1.00 0.00 H new ATOM 0 HA ALA A 40 12.420 6.226 1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.228 6.475 2.937 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.049 6.216 1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.740 4.879 2.318 1.00 0.00 H new ATOM 649 N PHE A 41 11.912 3.527 3.640 1.00 0.00 N ATOM 650 CA PHE A 41 12.296 2.865 4.881 1.00 0.00 C ATOM 651 C PHE A 41 13.574 2.054 4.693 1.00 0.00 C ATOM 652 O PHE A 41 14.409 1.972 5.593 1.00 0.00 O ATOM 653 CB PHE A 41 11.167 1.953 5.367 1.00 0.00 C ATOM 654 CG PHE A 41 9.975 2.702 5.891 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.225 3.511 5.054 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.606 2.597 7.223 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.128 4.202 5.533 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.509 3.285 7.708 1.00 0.00 C ATOM 659 CZ PHE A 41 7.770 4.089 6.862 1.00 0.00 C ATOM 0 H PHE A 41 11.342 2.956 3.016 1.00 0.00 H new ATOM 0 HA PHE A 41 12.482 3.634 5.631 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.850 1.311 4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.550 1.301 6.152 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.501 3.603 4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.181 1.971 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.552 4.829 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.230 3.194 8.747 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.914 4.628 7.239 1.00 0.00 H new ATOM 669 N GLY A 42 13.720 1.455 3.514 1.00 0.00 N ATOM 670 CA GLY A 42 14.898 0.657 3.229 1.00 0.00 C ATOM 671 C GLY A 42 14.719 -0.799 3.611 1.00 0.00 C ATOM 672 O GLY A 42 15.690 -1.487 3.925 1.00 0.00 O ATOM 0 H GLY A 42 13.044 1.508 2.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.130 0.725 2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.751 1.069 3.768 1.00 0.00 H new ATOM 676 N GLN A 43 13.476 -1.268 3.585 1.00 0.00 N ATOM 677 CA GLN A 43 13.174 -2.651 3.934 1.00 0.00 C ATOM 678 C GLN A 43 11.944 -3.146 3.180 1.00 0.00 C ATOM 679 O GLN A 43 11.041 -2.371 2.869 1.00 0.00 O ATOM 680 CB GLN A 43 12.950 -2.781 5.442 1.00 0.00 C ATOM 681 CG GLN A 43 14.220 -3.076 6.223 1.00 0.00 C ATOM 682 CD GLN A 43 13.957 -3.315 7.696 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.293 -2.485 8.542 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.352 -4.454 8.013 1.00 0.00 N ATOM 0 H GLN A 43 12.662 -0.711 3.326 1.00 0.00 H new ATOM 0 HA GLN A 43 14.026 -3.267 3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.510 -1.857 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.227 -3.576 5.626 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.708 -3.953 5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.912 -2.241 6.112 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.091 -5.114 7.280 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.149 -4.669 8.989 1.00 0.00 H new ATOM 693 N SER A 44 11.917 -4.443 2.890 1.00 0.00 N ATOM 694 CA SER A 44 10.800 -5.042 2.169 1.00 0.00 C ATOM 695 C SER A 44 9.609 -5.259 3.096 1.00 0.00 C ATOM 696 O SER A 44 9.673 -6.058 4.031 1.00 0.00 O ATOM 697 CB SER A 44 11.224 -6.373 1.544 1.00 0.00 C ATOM 698 OG SER A 44 12.240 -6.180 0.575 1.00 0.00 O ATOM 0 H SER A 44 12.656 -5.099 3.143 1.00 0.00 H new ATOM 0 HA SER A 44 10.501 -4.356 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.583 -7.046 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.361 -6.852 1.081 1.00 0.00 H new ATOM 0 HG SER A 44 12.495 -7.045 0.192 1.00 0.00 H new ATOM 704 N MET A 45 8.522 -4.542 2.831 1.00 0.00 N ATOM 705 CA MET A 45 7.314 -4.657 3.640 1.00 0.00 C ATOM 706 C MET A 45 6.074 -4.754 2.757 1.00 0.00 C ATOM 707 O MET A 45 6.045 -4.214 1.651 1.00 0.00 O ATOM 708 CB MET A 45 7.191 -3.458 4.583 1.00 0.00 C ATOM 709 CG MET A 45 7.512 -2.129 3.920 1.00 0.00 C ATOM 710 SD MET A 45 7.981 -0.856 5.109 1.00 0.00 S ATOM 711 CE MET A 45 9.310 -1.681 5.981 1.00 0.00 C ATOM 0 H MET A 45 8.453 -3.875 2.062 1.00 0.00 H new ATOM 0 HA MET A 45 7.388 -5.570 4.231 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.177 -3.421 4.980 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.860 -3.603 5.431 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.323 -2.270 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.644 -1.790 3.354 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.126 -0.978 6.149 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.944 -2.047 6.940 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.670 -2.520 5.386 1.00 0.00 H new ATOM 721 N ASP A 46 5.053 -5.444 3.252 1.00 0.00 N ATOM 722 CA ASP A 46 3.810 -5.611 2.507 1.00 0.00 C ATOM 723 C ASP A 46 3.006 -4.315 2.497 1.00 0.00 C ATOM 724 O ASP A 46 3.254 -3.410 3.295 1.00 0.00 O ATOM 725 CB ASP A 46 2.975 -6.739 3.114 1.00 0.00 C ATOM 726 CG ASP A 46 3.291 -8.088 2.499 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.488 -8.391 2.315 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.340 -8.842 2.202 1.00 0.00 O ATOM 0 H ASP A 46 5.061 -5.897 4.166 1.00 0.00 H new ATOM 0 HA ASP A 46 4.062 -5.870 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.154 -6.782 4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.917 -6.519 2.976 1.00 0.00 H new ATOM 733 N LEU A 47 2.041 -4.231 1.587 1.00 0.00 N ATOM 734 CA LEU A 47 1.200 -3.045 1.471 1.00 0.00 C ATOM 735 C LEU A 47 -0.267 -3.393 1.703 1.00 0.00 C ATOM 736 O LEU A 47 -0.942 -3.908 0.811 1.00 0.00 O ATOM 737 CB LEU A 47 1.372 -2.406 0.092 1.00 0.00 C ATOM 738 CG LEU A 47 2.542 -1.431 -0.056 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.865 -2.147 0.168 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.516 -0.771 -1.426 1.00 0.00 C ATOM 0 H LEU A 47 1.822 -4.970 0.919 1.00 0.00 H new ATOM 0 HA LEU A 47 1.511 -2.333 2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.494 -3.202 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.452 -1.879 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 47 2.440 -0.654 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.686 -1.438 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.884 -2.572 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.975 -2.945 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.355 -0.081 -1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.592 -1.535 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.582 -0.223 -1.548 1.00 0.00 H new ATOM 752 N HIS A 48 -0.755 -3.106 2.906 1.00 0.00 N ATOM 753 CA HIS A 48 -2.143 -3.386 3.254 1.00 0.00 C ATOM 754 C HIS A 48 -2.955 -2.096 3.329 1.00 0.00 C ATOM 755 O HIS A 48 -2.761 -1.280 4.231 1.00 0.00 O ATOM 756 CB HIS A 48 -2.216 -4.127 4.590 1.00 0.00 C ATOM 757 CG HIS A 48 -1.701 -5.532 4.524 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.576 -5.888 3.812 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.165 -6.671 5.089 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.370 -7.187 3.940 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.320 -7.686 4.710 1.00 0.00 N ATOM 0 H HIS A 48 -0.210 -2.680 3.655 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.568 -4.017 2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.644 -3.574 5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.251 -4.144 4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.037 -6.765 5.720 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.438 -7.746 3.491 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.411 -8.665 4.979 1.00 0.00 H new ATOM 770 N TYR A 49 -3.864 -1.919 2.377 1.00 0.00 N ATOM 771 CA TYR A 49 -4.703 -0.728 2.333 1.00 0.00 C ATOM 772 C TYR A 49 -6.128 -1.049 2.772 1.00 0.00 C ATOM 773 O TYR A 49 -6.668 -2.107 2.449 1.00 0.00 O ATOM 774 CB TYR A 49 -4.713 -0.137 0.922 1.00 0.00 C ATOM 775 CG TYR A 49 -5.844 -0.649 0.059 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.808 -1.929 -0.479 1.00 0.00 C ATOM 777 CD2 TYR A 49 -6.948 0.147 -0.218 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.838 -2.402 -1.269 1.00 0.00 C ATOM 779 CE2 TYR A 49 -7.984 -0.317 -1.005 1.00 0.00 C ATOM 780 CZ TYR A 49 -7.924 -1.592 -1.529 1.00 0.00 C ATOM 781 OH TYR A 49 -8.954 -2.058 -2.315 1.00 0.00 O ATOM 0 H TYR A 49 -4.039 -2.586 1.625 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.286 0.005 3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.784 0.948 0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.764 -0.364 0.435 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.960 -2.566 -0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.997 1.146 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.793 -3.400 -1.680 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.836 0.315 -1.209 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.641 -1.364 -2.399 1.00 0.00 H new ATOM 791 N THR A 50 -6.735 -0.125 3.512 1.00 0.00 N ATOM 792 CA THR A 50 -8.097 -0.308 3.997 1.00 0.00 C ATOM 793 C THR A 50 -9.055 0.670 3.328 1.00 0.00 C ATOM 794 O THR A 50 -8.918 1.884 3.471 1.00 0.00 O ATOM 795 CB THR A 50 -8.178 -0.125 5.524 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.032 1.259 5.861 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.101 -0.939 6.225 1.00 0.00 C ATOM 0 H THR A 50 -6.304 0.757 3.788 1.00 0.00 H new ATOM 0 HA THR A 50 -8.388 -1.327 3.744 1.00 0.00 H new ATOM 0 HB THR A 50 -9.153 -0.479 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.381 1.812 5.131 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.178 -0.793 7.302 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.233 -1.995 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.118 -0.612 5.884 1.00 0.00 H new ATOM 805 N ASN A 51 -10.026 0.134 2.596 1.00 0.00 N ATOM 806 CA ASN A 51 -11.008 0.961 1.904 1.00 0.00 C ATOM 807 C ASN A 51 -11.767 1.844 2.890 1.00 0.00 C ATOM 808 O ASN A 51 -11.554 3.054 2.946 1.00 0.00 O ATOM 809 CB ASN A 51 -11.990 0.081 1.128 1.00 0.00 C ATOM 810 CG ASN A 51 -13.233 0.840 0.702 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.248 2.070 0.688 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.283 0.106 0.353 1.00 0.00 N ATOM 0 H ASN A 51 -10.154 -0.870 2.467 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.476 1.604 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.493 -0.322 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.280 -0.768 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.147 0.560 0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.225 -0.912 0.380 1.00 0.00 H new ATOM 819 N ASN A 52 -12.653 1.228 3.666 1.00 0.00 N ATOM 820 CA ASN A 52 -13.444 1.958 4.650 1.00 0.00 C ATOM 821 C ASN A 52 -13.308 1.328 6.032 1.00 0.00 C ATOM 822 O ASN A 52 -12.756 1.935 6.950 1.00 0.00 O ATOM 823 CB ASN A 52 -14.916 1.986 4.232 1.00 0.00 C ATOM 824 CG ASN A 52 -15.703 3.059 4.959 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.231 3.633 5.941 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.910 3.336 4.479 1.00 0.00 N ATOM 0 H ASN A 52 -12.841 0.226 3.633 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.067 2.980 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.983 2.156 3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.366 1.013 4.429 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.486 4.049 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.261 2.835 3.663 1.00 0.00 H new ATOM 833 N GLU A 53 -13.815 0.107 6.173 1.00 0.00 N ATOM 834 CA GLU A 53 -13.749 -0.605 7.444 1.00 0.00 C ATOM 835 C GLU A 53 -13.228 -2.025 7.246 1.00 0.00 C ATOM 836 O GLU A 53 -13.579 -2.938 7.995 1.00 0.00 O ATOM 837 CB GLU A 53 -15.129 -0.643 8.104 1.00 0.00 C ATOM 838 CG GLU A 53 -15.813 0.712 8.164 1.00 0.00 C ATOM 839 CD GLU A 53 -16.818 0.809 9.295 1.00 0.00 C ATOM 840 OE1 GLU A 53 -17.726 -0.047 9.356 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.698 1.739 10.119 1.00 0.00 O ATOM 0 H GLU A 53 -14.276 -0.409 5.423 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.057 -0.071 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.765 -1.338 7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.028 -1.034 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.059 1.490 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.318 0.902 7.217 1.00 0.00 H new ATOM 848 N LEU A 54 -12.389 -2.205 6.232 1.00 0.00 N ATOM 849 CA LEU A 54 -11.819 -3.515 5.933 1.00 0.00 C ATOM 850 C LEU A 54 -10.381 -3.384 5.444 1.00 0.00 C ATOM 851 O LEU A 54 -9.995 -2.356 4.886 1.00 0.00 O ATOM 852 CB LEU A 54 -12.665 -4.233 4.880 1.00 0.00 C ATOM 853 CG LEU A 54 -14.036 -4.727 5.343 1.00 0.00 C ATOM 854 CD1 LEU A 54 -15.018 -4.743 4.182 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.922 -6.110 5.966 1.00 0.00 C ATOM 0 H LEU A 54 -12.088 -1.461 5.603 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.819 -4.102 6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.810 -3.557 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.099 -5.088 4.509 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.412 -4.039 6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.988 -5.097 4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.123 -3.735 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.648 -5.408 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.907 -6.446 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.524 -6.809 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.253 -6.068 6.825 1.00 0.00 H new ATOM 867 N VAL A 55 -9.591 -4.432 5.655 1.00 0.00 N ATOM 868 CA VAL A 55 -8.196 -4.436 5.233 1.00 0.00 C ATOM 869 C VAL A 55 -8.004 -5.280 3.978 1.00 0.00 C ATOM 870 O VAL A 55 -8.581 -6.361 3.851 1.00 0.00 O ATOM 871 CB VAL A 55 -7.274 -4.971 6.345 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.825 -4.973 5.882 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.436 -4.146 7.613 1.00 0.00 C ATOM 0 H VAL A 55 -9.894 -5.290 6.116 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.928 -3.402 5.016 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.560 -5.999 6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.188 -5.354 6.681 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.725 -5.610 5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.522 -3.957 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.778 -4.537 8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.177 -3.108 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.470 -4.201 7.953 1.00 0.00 H new ATOM 883 N ILE A 56 -7.189 -4.781 3.055 1.00 0.00 N ATOM 884 CA ILE A 56 -6.920 -5.491 1.810 1.00 0.00 C ATOM 885 C ILE A 56 -5.442 -5.413 1.442 1.00 0.00 C ATOM 886 O ILE A 56 -4.930 -4.365 1.046 1.00 0.00 O ATOM 887 CB ILE A 56 -7.758 -4.927 0.648 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.232 -4.840 1.048 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.591 -5.791 -0.594 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.979 -3.717 0.363 1.00 0.00 C ATOM 0 H ILE A 56 -6.704 -3.888 3.145 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.197 -6.532 1.974 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.403 -3.922 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.720 -5.786 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.300 -4.705 2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.190 -5.379 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.542 -5.806 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -7.922 -6.807 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -11.017 -3.716 0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.516 -2.764 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.943 -3.861 -0.717 1.00 0.00 H new ATOM 902 N PRO A 57 -4.739 -6.547 1.572 1.00 0.00 N ATOM 903 CA PRO A 57 -3.310 -6.634 1.255 1.00 0.00 C ATOM 904 C PRO A 57 -3.040 -6.524 -0.241 1.00 0.00 C ATOM 905 O PRO A 57 -3.276 -7.468 -0.996 1.00 0.00 O ATOM 906 CB PRO A 57 -2.917 -8.022 1.769 1.00 0.00 C ATOM 907 CG PRO A 57 -4.181 -8.809 1.738 1.00 0.00 C ATOM 908 CD PRO A 57 -5.285 -7.833 2.038 1.00 0.00 C ATOM 0 HA PRO A 57 -2.742 -5.820 1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.152 -8.476 1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.508 -7.969 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.327 -9.275 0.763 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.159 -9.612 2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.205 -8.093 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.521 -7.808 3.102 1.00 0.00 H new ATOM 916 N LEU A 58 -2.545 -5.366 -0.664 1.00 0.00 N ATOM 917 CA LEU A 58 -2.242 -5.132 -2.072 1.00 0.00 C ATOM 918 C LEU A 58 -1.143 -6.072 -2.556 1.00 0.00 C ATOM 919 O LEU A 58 0.038 -5.856 -2.285 1.00 0.00 O ATOM 920 CB LEU A 58 -1.818 -3.678 -2.288 1.00 0.00 C ATOM 921 CG LEU A 58 -2.951 -2.662 -2.431 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.517 -1.301 -1.908 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.395 -2.560 -3.883 1.00 0.00 C ATOM 0 H LEU A 58 -2.345 -4.575 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.144 -5.330 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.190 -3.376 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.199 -3.630 -3.184 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.797 -3.004 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.336 -0.591 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.248 -1.385 -0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.655 -0.951 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.202 -1.832 -3.966 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.554 -2.241 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.747 -3.533 -4.225 1.00 0.00 H new ATOM 935 N THR A 59 -1.540 -7.117 -3.277 1.00 0.00 N ATOM 936 CA THR A 59 -0.589 -8.090 -3.800 1.00 0.00 C ATOM 937 C THR A 59 -0.684 -8.189 -5.318 1.00 0.00 C ATOM 938 O THR A 59 0.331 -8.268 -6.010 1.00 0.00 O ATOM 939 CB THR A 59 -0.820 -9.485 -3.190 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.196 -9.858 -3.326 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.427 -9.505 -1.720 1.00 0.00 C ATOM 0 H THR A 59 -2.514 -7.311 -3.512 1.00 0.00 H new ATOM 0 HA THR A 59 0.406 -7.741 -3.523 1.00 0.00 H new ATOM 0 HB THR A 59 -0.196 -10.199 -3.727 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.334 -10.747 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.599 -10.501 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.628 -9.250 -1.622 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.028 -8.779 -1.173 1.00 0.00 H new ATOM 949 N THR A 60 -1.910 -8.184 -5.832 1.00 0.00 N ATOM 950 CA THR A 60 -2.137 -8.274 -7.268 1.00 0.00 C ATOM 951 C THR A 60 -2.535 -6.922 -7.848 1.00 0.00 C ATOM 952 O THR A 60 -3.263 -6.156 -7.217 1.00 0.00 O ATOM 953 CB THR A 60 -3.234 -9.304 -7.600 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.468 -8.922 -6.984 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.833 -10.693 -7.125 1.00 0.00 C ATOM 0 H THR A 60 -2.761 -8.118 -5.274 1.00 0.00 H new ATOM 0 HA THR A 60 -1.197 -8.597 -7.716 1.00 0.00 H new ATOM 0 HB THR A 60 -3.362 -9.330 -8.682 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.314 -8.729 -6.036 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.623 -11.403 -7.370 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.909 -10.993 -7.618 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.680 -10.678 -6.046 1.00 0.00 H new ATOM 963 N GLN A 61 -2.053 -6.635 -9.053 1.00 0.00 N ATOM 964 CA GLN A 61 -2.359 -5.374 -9.717 1.00 0.00 C ATOM 965 C GLN A 61 -3.854 -5.078 -9.662 1.00 0.00 C ATOM 966 O GLN A 61 -4.264 -3.953 -9.377 1.00 0.00 O ATOM 967 CB GLN A 61 -1.888 -5.411 -11.172 1.00 0.00 C ATOM 968 CG GLN A 61 -2.098 -4.101 -11.914 1.00 0.00 C ATOM 969 CD GLN A 61 -1.253 -2.973 -11.356 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.140 -3.193 -10.877 1.00 0.00 O ATOM 971 NE2 GLN A 61 -1.778 -1.755 -11.416 1.00 0.00 N ATOM 0 H GLN A 61 -1.449 -7.259 -9.589 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.830 -4.579 -9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.829 -5.666 -11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.419 -6.205 -11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.859 -4.242 -12.968 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.150 -3.822 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.704 -1.618 -11.821 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.255 -0.956 -11.057 1.00 0.00 H new ATOM 980 N ASP A 62 -4.663 -6.095 -9.937 1.00 0.00 N ATOM 981 CA ASP A 62 -6.114 -5.944 -9.918 1.00 0.00 C ATOM 982 C ASP A 62 -6.566 -5.197 -8.667 1.00 0.00 C ATOM 983 O ASP A 62 -7.382 -4.278 -8.742 1.00 0.00 O ATOM 984 CB ASP A 62 -6.791 -7.314 -9.982 1.00 0.00 C ATOM 985 CG ASP A 62 -8.151 -7.319 -9.311 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.873 -6.307 -9.425 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.493 -8.337 -8.673 1.00 0.00 O ATOM 0 H ASP A 62 -4.339 -7.032 -10.176 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.406 -5.362 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.902 -7.613 -11.024 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.150 -8.055 -9.504 1.00 0.00 H new ATOM 992 N ASP A 63 -6.032 -5.598 -7.519 1.00 0.00 N ATOM 993 CA ASP A 63 -6.380 -4.967 -6.252 1.00 0.00 C ATOM 994 C ASP A 63 -6.050 -3.477 -6.278 1.00 0.00 C ATOM 995 O ASP A 63 -6.876 -2.641 -5.908 1.00 0.00 O ATOM 996 CB ASP A 63 -5.640 -5.646 -5.098 1.00 0.00 C ATOM 997 CG ASP A 63 -6.002 -7.112 -4.962 1.00 0.00 C ATOM 998 OD1 ASP A 63 -7.161 -7.467 -5.260 1.00 0.00 O ATOM 999 OD2 ASP A 63 -5.125 -7.903 -4.557 1.00 0.00 O ATOM 0 H ASP A 63 -5.356 -6.358 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.453 -5.081 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.565 -5.553 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.872 -5.129 -4.167 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.839 -3.153 -6.715 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.398 -1.764 -6.788 1.00 0.00 C ATOM 1006 C LEU A 64 -5.310 -0.951 -7.702 1.00 0.00 C ATOM 1007 O LEU A 64 -5.915 0.033 -7.276 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.956 -1.691 -7.292 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.487 -0.324 -7.791 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.584 0.711 -6.681 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.063 -0.409 -8.321 1.00 0.00 C ATOM 0 H LEU A 64 -4.144 -3.833 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.447 -1.340 -5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.294 -2.008 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.839 -2.411 -8.102 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.139 -0.013 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.246 1.678 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.619 0.792 -6.348 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.957 0.406 -5.843 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.746 0.573 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.398 -0.742 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.024 -1.119 -9.147 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.405 -1.370 -8.959 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.245 -0.683 -9.932 1.00 0.00 C ATOM 1025 C ASP A 65 -7.660 -0.495 -9.392 1.00 0.00 C ATOM 1026 O ASP A 65 -8.257 0.571 -9.543 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.287 -1.467 -11.245 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.473 -0.568 -12.451 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -7.559 0.034 -12.582 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -5.530 -0.465 -13.264 1.00 0.00 O ATOM 0 H ASP A 65 -4.910 -2.182 -9.328 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.813 0.300 -10.118 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.362 -2.033 -11.357 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.101 -2.191 -11.206 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.191 -1.538 -8.763 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.535 -1.488 -8.200 1.00 0.00 C ATOM 1037 C LYS A 66 -9.549 -0.702 -6.893 1.00 0.00 C ATOM 1038 O LYS A 66 -10.608 -0.311 -6.405 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.062 -2.905 -7.961 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.739 -3.516 -9.175 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.545 -4.749 -8.803 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.224 -5.359 -10.020 1.00 0.00 C ATOM 1043 NZ LYS A 66 -11.335 -6.323 -10.726 1.00 0.00 N ATOM 0 H LYS A 66 -7.711 -2.428 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.183 -0.981 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.234 -3.545 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.770 -2.885 -7.132 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.394 -2.778 -9.637 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.986 -3.783 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.890 -5.488 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.297 -4.483 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.137 -5.867 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.518 -4.566 -10.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.222 -6.029 -11.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.404 -6.341 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.757 -7.273 -10.692 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.366 -0.473 -6.333 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.242 0.270 -5.085 1.00 0.00 C ATOM 1059 C ALA A 67 -8.074 1.763 -5.349 1.00 0.00 C ATOM 1060 O ALA A 67 -8.498 2.597 -4.549 1.00 0.00 O ATOM 1061 CB ALA A 67 -7.072 -0.259 -4.270 1.00 0.00 C ATOM 0 H ALA A 67 -7.479 -0.791 -6.724 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.160 0.130 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.991 0.305 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.234 -1.313 -4.042 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.151 -0.149 -4.842 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.451 2.093 -6.476 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.227 3.486 -6.846 1.00 0.00 C ATOM 1069 C VAL A 68 -8.489 4.109 -7.431 1.00 0.00 C ATOM 1070 O VAL A 68 -8.755 5.294 -7.235 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.082 3.618 -7.867 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.963 5.054 -8.354 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.770 3.141 -7.261 1.00 0.00 C ATOM 0 H VAL A 68 -7.092 1.415 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.953 4.016 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.310 2.987 -8.726 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.149 5.127 -9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.896 5.356 -8.829 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.759 5.710 -7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.972 3.241 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.534 3.744 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.864 2.095 -6.968 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.264 3.302 -8.149 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.499 3.775 -8.763 1.00 0.00 C ATOM 1085 C GLU A 69 -11.567 4.037 -7.704 1.00 0.00 C ATOM 1086 O GLU A 69 -12.338 4.991 -7.807 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.013 2.755 -9.780 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.514 1.466 -9.150 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.203 0.557 -10.149 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.430 0.700 -10.334 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -11.515 -0.296 -10.747 1.00 0.00 O ATOM 0 H GLU A 69 -9.058 2.318 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.283 4.712 -9.277 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.821 3.205 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.213 2.519 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.674 0.935 -8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.208 1.706 -8.344 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.605 3.182 -6.688 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.579 3.320 -5.610 1.00 0.00 C ATOM 1100 C LEU A 70 -12.285 4.555 -4.765 1.00 0.00 C ATOM 1101 O LEU A 70 -13.193 5.160 -4.194 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.571 2.070 -4.727 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.625 2.102 -3.527 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.243 2.887 -2.381 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.280 0.688 -3.082 1.00 0.00 C ATOM 0 H LEU A 70 -10.974 2.387 -6.588 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.566 3.436 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.584 1.902 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.309 1.213 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.704 2.602 -3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.555 2.899 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.439 3.909 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.179 2.416 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.606 0.730 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.192 0.163 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.795 0.157 -3.901 1.00 0.00 H new ATOM 1117 N LEU A 71 -11.011 4.925 -4.691 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.597 6.090 -3.917 1.00 0.00 C ATOM 1119 C LEU A 71 -11.088 7.379 -4.568 1.00 0.00 C ATOM 1120 O LEU A 71 -11.634 8.256 -3.899 1.00 0.00 O ATOM 1121 CB LEU A 71 -9.073 6.122 -3.782 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.452 7.492 -3.507 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.803 7.965 -2.105 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.943 7.440 -3.692 1.00 0.00 C ATOM 0 H LEU A 71 -10.247 4.435 -5.157 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.042 6.013 -2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.785 5.447 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.639 5.726 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.861 8.206 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.353 8.941 -1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.886 8.042 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.422 7.251 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.518 8.424 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.517 6.713 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.712 7.146 -4.716 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.891 7.486 -5.878 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.317 8.666 -6.621 1.00 0.00 C ATOM 1138 C ASP A 72 -12.819 8.890 -6.472 1.00 0.00 C ATOM 1139 O ASP A 72 -13.257 9.943 -6.009 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.954 8.522 -8.100 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.969 9.850 -8.832 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.629 10.790 -8.341 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -10.321 9.949 -9.895 1.00 0.00 O ATOM 0 H ASP A 72 -10.439 6.770 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.797 9.531 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.964 8.074 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.656 7.839 -8.578 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.602 7.892 -6.869 1.00 0.00 N ATOM 1149 CA ARG A 73 -15.055 7.981 -6.782 1.00 0.00 C ATOM 1150 C ARG A 73 -15.495 8.306 -5.357 1.00 0.00 C ATOM 1151 O ARG A 73 -16.546 8.911 -5.145 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.696 6.669 -7.238 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.482 5.518 -6.269 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.834 4.182 -6.904 1.00 0.00 C ATOM 1155 NE ARG A 73 -16.245 3.194 -5.910 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.484 3.097 -5.439 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -18.427 3.922 -5.871 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -17.780 2.171 -4.535 1.00 0.00 N ATOM 0 H ARG A 73 -13.255 7.013 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.385 8.786 -7.439 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.766 6.825 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.289 6.394 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.442 5.504 -5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.093 5.671 -5.380 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.637 4.325 -7.627 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.973 3.805 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.543 2.543 -5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.203 4.633 -6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.377 3.845 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.056 1.534 -4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.731 2.097 -4.174 1.00 0.00 H new ATOM 1172 N SER A 74 -14.685 7.900 -4.385 1.00 0.00 N ATOM 1173 CA SER A 74 -14.992 8.144 -2.981 1.00 0.00 C ATOM 1174 C SER A 74 -15.048 9.641 -2.689 1.00 0.00 C ATOM 1175 O SER A 74 -14.131 10.386 -3.036 1.00 0.00 O ATOM 1176 CB SER A 74 -13.948 7.477 -2.085 1.00 0.00 C ATOM 1177 OG SER A 74 -14.506 7.113 -0.834 1.00 0.00 O ATOM 0 H SER A 74 -13.810 7.400 -4.544 1.00 0.00 H new ATOM 0 HA SER A 74 -15.971 7.713 -2.769 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.551 6.591 -2.581 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.111 8.157 -1.929 1.00 0.00 H new ATOM 0 HG SER A 74 -14.159 6.237 -0.564 1.00 0.00 H new ATOM 1183 N ILE A 75 -16.130 10.073 -2.051 1.00 0.00 N ATOM 1184 CA ILE A 75 -16.305 11.480 -1.711 1.00 0.00 C ATOM 1185 C ILE A 75 -15.719 11.791 -0.338 1.00 0.00 C ATOM 1186 O ILE A 75 -15.080 12.825 -0.145 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.792 11.881 -1.725 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -18.350 11.807 -3.148 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.969 13.280 -1.153 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.853 11.645 -3.201 1.00 0.00 C ATOM 0 H ILE A 75 -16.899 9.469 -1.759 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.774 12.056 -2.469 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.347 11.181 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -18.071 12.713 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.884 10.971 -3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -19.025 13.549 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -17.605 13.302 -0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -17.404 13.993 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -20.178 11.600 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -20.138 10.724 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -20.328 12.494 -2.709 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.940 10.888 0.612 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.431 11.065 1.967 1.00 0.00 C ATOM 1204 C HIS A 76 -13.920 10.859 2.012 1.00 0.00 C ATOM 1205 O HIS A 76 -13.188 11.683 2.559 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.119 10.091 2.924 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.249 8.703 2.375 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.131 8.180 1.491 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.407 7.671 2.730 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.809 6.855 1.330 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.765 6.573 2.088 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.468 10.027 0.469 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.650 12.086 2.280 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.556 10.053 3.857 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.111 10.472 3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.583 7.748 3.424 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.326 6.157 0.688 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.312 5.662 2.165 1.00 0.00 H new ATOM 1220 N MET A 77 -13.461 9.754 1.433 1.00 0.00 N ATOM 1221 CA MET A 77 -12.037 9.441 1.407 1.00 0.00 C ATOM 1222 C MET A 77 -11.252 10.539 0.696 1.00 0.00 C ATOM 1223 O MET A 77 -11.811 11.311 -0.084 1.00 0.00 O ATOM 1224 CB MET A 77 -11.801 8.099 0.712 1.00 0.00 C ATOM 1225 CG MET A 77 -11.783 6.916 1.667 1.00 0.00 C ATOM 1226 SD MET A 77 -11.968 5.336 0.818 1.00 0.00 S ATOM 1227 CE MET A 77 -10.263 4.969 0.409 1.00 0.00 C ATOM 0 H MET A 77 -14.054 9.061 0.976 1.00 0.00 H new ATOM 0 HA MET A 77 -11.686 9.376 2.437 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.581 7.943 -0.033 1.00 0.00 H new ATOM 0 HB3 MET A 77 -10.852 8.138 0.177 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.846 6.918 2.224 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.586 7.029 2.395 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.211 4.557 -0.599 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.672 5.884 0.458 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.867 4.243 1.119 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.953 10.605 0.971 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.091 11.607 0.358 1.00 0.00 C ATOM 1239 C LYS A 78 -7.892 10.952 -0.320 1.00 0.00 C ATOM 1240 O LYS A 78 -7.479 11.364 -1.404 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.610 12.609 1.411 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.722 13.471 1.982 1.00 0.00 C ATOM 1243 CD LYS A 78 -9.175 14.743 2.609 1.00 0.00 C ATOM 1244 CE LYS A 78 -8.673 14.495 4.023 1.00 0.00 C ATOM 1245 NZ LYS A 78 -8.348 15.767 4.727 1.00 0.00 N ATOM 0 H LYS A 78 -9.475 9.975 1.615 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.671 12.135 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.129 12.066 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.853 13.255 0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.427 13.728 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.275 12.904 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.362 15.132 1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.954 15.505 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.430 13.951 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.786 13.862 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.009 15.556 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.607 16.275 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.200 16.360 4.783 1.00 0.00 H new ATOM 1259 N SER A 79 -7.339 9.930 0.324 1.00 0.00 N ATOM 1260 CA SER A 79 -6.186 9.219 -0.216 1.00 0.00 C ATOM 1261 C SER A 79 -6.288 7.723 0.067 1.00 0.00 C ATOM 1262 O SER A 79 -7.189 7.274 0.777 1.00 0.00 O ATOM 1263 CB SER A 79 -4.892 9.775 0.380 1.00 0.00 C ATOM 1264 OG SER A 79 -4.828 9.534 1.775 1.00 0.00 O ATOM 0 H SER A 79 -7.671 9.575 1.221 1.00 0.00 H new ATOM 0 HA SER A 79 -6.173 9.367 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.035 9.315 -0.111 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.831 10.847 0.190 1.00 0.00 H new ATOM 0 HG SER A 79 -4.076 10.031 2.159 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.359 6.957 -0.494 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.343 5.511 -0.302 1.00 0.00 C ATOM 1272 C LEU A 80 -4.504 5.131 0.914 1.00 0.00 C ATOM 1273 O LEU A 80 -3.279 5.034 0.831 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.794 4.818 -1.551 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.955 3.298 -1.600 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.419 2.921 -1.765 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -4.121 2.709 -2.729 1.00 0.00 C ATOM 0 H LEU A 80 -4.608 7.313 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.367 5.181 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.287 5.244 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.733 5.054 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.598 2.884 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.514 1.836 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.992 3.310 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.802 3.347 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.248 1.627 -2.749 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.447 3.130 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.070 2.948 -2.568 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.171 4.916 2.042 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.489 4.544 3.276 1.00 0.00 C ATOM 1291 C LYS A 81 -3.790 3.197 3.126 1.00 0.00 C ATOM 1292 O LYS A 81 -4.408 2.207 2.733 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.484 4.487 4.437 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.836 4.206 5.781 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.718 4.660 6.932 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.206 4.140 8.266 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.115 4.503 9.389 1.00 0.00 N ATOM 0 H LYS A 81 -6.184 4.993 2.128 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.736 5.303 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.019 5.435 4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.225 3.714 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.637 3.138 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.874 4.716 5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.756 5.749 6.955 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.737 4.309 6.771 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.103 3.056 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.213 4.546 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.731 4.130 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.193 5.538 9.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.056 4.094 9.220 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.499 3.166 3.442 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.718 1.939 3.344 1.00 0.00 C ATOM 1313 C ILE A 82 -1.072 1.591 4.680 1.00 0.00 C ATOM 1314 O ILE A 82 -0.721 2.476 5.462 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.621 2.055 2.270 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.188 2.681 0.995 1.00 0.00 C ATOM 1317 CG2 ILE A 82 -0.023 0.687 1.974 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.323 1.888 0.385 1.00 0.00 C ATOM 0 H ILE A 82 -1.972 3.976 3.768 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.410 1.146 3.061 1.00 0.00 H new ATOM 0 HB ILE A 82 0.170 2.702 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.539 3.688 1.220 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.388 2.778 0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.751 0.785 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.413 0.276 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.805 0.019 1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.675 2.391 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.972 0.888 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.141 1.812 1.102 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.915 0.297 4.936 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.308 -0.169 6.178 1.00 0.00 C ATOM 1332 C LEU A 83 0.863 -1.104 5.894 1.00 0.00 C ATOM 1333 O LEU A 83 0.671 -2.264 5.527 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.349 -0.885 7.040 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.410 0.005 7.689 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.783 0.897 8.749 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.119 0.843 6.635 1.00 0.00 C ATOM 0 H LEU A 83 -1.200 -0.448 4.300 1.00 0.00 H new ATOM 0 HA LEU A 83 0.067 0.700 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.855 -1.627 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.827 -1.428 7.828 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.148 -0.635 8.173 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.553 1.523 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.322 0.278 9.519 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.024 1.530 8.289 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.871 1.470 7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.393 1.474 6.123 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.602 0.186 5.912 1.00 0.00 H new ATOM 1349 N LEU A 84 2.077 -0.593 6.069 1.00 0.00 N ATOM 1350 CA LEU A 84 3.281 -1.383 5.834 1.00 0.00 C ATOM 1351 C LEU A 84 3.503 -2.385 6.962 1.00 0.00 C ATOM 1352 O LEU A 84 3.513 -2.020 8.138 1.00 0.00 O ATOM 1353 CB LEU A 84 4.498 -0.466 5.703 1.00 0.00 C ATOM 1354 CG LEU A 84 4.383 0.661 4.676 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.518 1.658 4.848 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.377 0.096 3.263 1.00 0.00 C ATOM 0 H LEU A 84 2.254 0.365 6.373 1.00 0.00 H new ATOM 0 HA LEU A 84 3.148 -1.935 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.700 -0.023 6.678 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.363 -1.078 5.446 1.00 0.00 H new ATOM 0 HG LEU A 84 3.440 1.183 4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.419 2.453 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.477 2.087 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.472 1.150 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.295 0.912 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.303 -0.451 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.529 -0.578 3.144 1.00 0.00 H new ATOM 1368 N VAL A 85 3.684 -3.650 6.596 1.00 0.00 N ATOM 1369 CA VAL A 85 3.910 -4.705 7.577 1.00 0.00 C ATOM 1370 C VAL A 85 5.186 -5.480 7.266 1.00 0.00 C ATOM 1371 O VAL A 85 5.323 -6.065 6.191 1.00 0.00 O ATOM 1372 CB VAL A 85 2.725 -5.688 7.627 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.992 -6.794 8.637 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.436 -4.951 7.959 1.00 0.00 C ATOM 0 H VAL A 85 3.679 -3.969 5.627 1.00 0.00 H new ATOM 0 HA VAL A 85 4.011 -4.219 8.547 1.00 0.00 H new ATOM 0 HB VAL A 85 2.612 -6.146 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.144 -7.479 8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.892 -7.339 8.351 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.131 -6.358 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.609 -5.660 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.534 -4.465 8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.240 -4.199 7.195 1.00 0.00 H new ATOM 1384 N ILE A 86 6.117 -5.480 8.214 1.00 0.00 N ATOM 1385 CA ILE A 86 7.382 -6.184 8.042 1.00 0.00 C ATOM 1386 C ILE A 86 7.154 -7.608 7.548 1.00 0.00 C ATOM 1387 O ILE A 86 6.621 -8.449 8.270 1.00 0.00 O ATOM 1388 CB ILE A 86 8.183 -6.230 9.356 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.439 -4.813 9.874 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.497 -6.970 9.150 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.377 -4.011 8.999 1.00 0.00 C ATOM 0 H ILE A 86 6.019 -5.001 9.109 1.00 0.00 H new ATOM 0 HA ILE A 86 7.954 -5.630 7.297 1.00 0.00 H new ATOM 0 HB ILE A 86 7.598 -6.768 10.102 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.488 -4.286 9.952 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.855 -4.872 10.880 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.052 -6.994 10.088 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.293 -7.990 8.823 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.088 -6.457 8.392 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.513 -3.017 9.426 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.341 -4.516 8.941 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.954 -3.921 7.999 1.00 0.00 H new